| CAS Number | 1393442-63-1 |
| Catalog Number | AG009WXT(AGN-PC-0WA3ML) |
| Chemical Name | 1-(3-Bromo-6-methylquinolin-4-yl)pyrrolidine-2,5-dione |
| IUPAC Name | 1-(3-bromo-6-methylquinolin-4-yl)pyrrolidine-2,5-dione |
| InChI | InChI=1S/C14H11BrN2O2/c1-8-2-3-11-9(6-8)14(10(15)7-16-11)17-12(18)4-5-13(17)19/h2-3,6-7H,4-5H2,1H3 |
| InChI Key | ROGYFABCFOQFSB-UHFFFAOYSA-N |
| MDL Number | MFCD22383774 |
| Molecular Formula | C14H11BrN2O2 |
| Molecular Weight | 319.1533 |
| SMILES | Cc1ccc2c(c1)c(c(cn2)Br)N1C(=O)CCC1=O |
| Synonyms | 1-(3-Bromo-6-methylquinolin-4-yl)pyrrolidine-2,5-dione,
1393442-63-1,
ZINC95495960,
V2968,
C14H11BrN2O2,
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| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.158g/mol |
| Monoisotopic Mass | 318g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number